Geometry & MOs

Info

ID:

436059

PubChem CID:

135193636

Reduced:

FON4C22H29 (1)

Stoich.:

ABC4D22E29 (1)

Weight, g/mol:

749.279806

ΔHf, kcal/mol:

-76.46

Dipole, Da:

2.21

IP(EA), eV:

 -8.3(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-[2-[2-[2-[2-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyldisulfanyl]propanoate

Drug info:

PubChemData

Smile

CCC1=C(N2CCCCC2=N1)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)F

DOS

IR

Vibrations